Monomers

2-Methoxyprop-2-enenitrile

Identifiers

IUPAC name
2-methoxyprop-2-enenitrile
InchI
InChI=1S/C4H5NO/c1-4(3-5)6-2/h1H2,2H3
InchI Key
PEIBTJDECFEPAF-UHFFFAOYSA-N
SMILES
COC(=C)C#N
Canonical SMILES
COC(=C)C#N
Isomeric SMILES
COC(=C)C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5NO
Heavy Atom Count
6
Molecular Weight
83.09
Exact Molecular Weight
83.0371
Valence Electrons
32
Radical Electrons
0
tPSA
33.02
MolLogP
0.6701
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.5532    0.4096    0.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8447   -0.0579   -0.5604 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5335   -0.1566   -0.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1116   -1.3395   -0.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070    1.0730   -0.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9349    2.0439   -0.3298 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6313    0.4177    0.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2249    1.4579    0.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3177   -0.2546    1.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1856   -1.3682   -0.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4992   -2.2252   -0.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  3  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  4 10  1  0
  4 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers